Geometry & MOs

Info

ID:	314634
PubChem CID:	126622531
Reduced:	F2N2O3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	-197.44
Dipole, Da:	4.86
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-fluoropyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC=C1)NC(=O)[C@@H]2C[C@H](CN2)F)F

DOS

IR

Vibrations